7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine

C24H27N5O4S — CID 10206138

IUPAC7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOCCN(C)c1ccc(-c2cc3nccn3c(Nc3ccccc3S(C)(=O)=O)n2)cc1OC
InChIInChI=1S/C24H27N5O4S/c1-28(13-14-32-2)20-10-9-17(15-21(20)33-3)19-16-23-25-11-12-29(23)24(27-19)26-18-7-5-6-8-22(18)34(4,30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,27)
InChIKeyVZRPLPVDTITFRR-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.63
Rot. Bonds9

About 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine

7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 10206138) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID10206138
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOCCN(C)c1ccc(-c2cc3nccn3c(Nc3ccccc3S(C)(=O)=O)n2)cc1OC
InChIInChI=1S/C24H27N5O4S/c1-28(13-14-32-2)20-10-9-17(15-21(20)33-3)19-16-23-25-11-12-29(23)24(27-19)26-18-7-5-6-8-22(18)34(4,30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,27)
InChIKeyVZRPLPVDTITFRR-UHFFFAOYSA-N
XLogP3.63
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 10206138) is 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine is COCCN(C)c1ccc(-c2cc3nccn3c(Nc3ccccc3S(C)(=O)=O)n2)cc1OC.
What is the InChIKey of 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is VZRPLPVDTITFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-28(13-14-32-2)20-10-9-17(15-21(20)33-3)19-16-23-25-11-12-29(23)24(27-19)26-18-7-5-6-8-22(18)34(4,30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,27).
What are the key properties of 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 481.58 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 10206138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).